PUBCHEM-ZINC05138392
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.3470    2.1620    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.6890    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090   -0.0450    1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830   -1.5290    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -2.3570    2.2970 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9010   -2.1840    3.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980   -3.8420    1.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350   -2.3190    3.7890 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1140   -3.2720    4.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0390   -2.4470    3.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2640   -3.1260    1.7370 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.3600   -1.2080    4.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.1180    4.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    2.6590    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    2.6670   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    2.2900    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630    0.2310    0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.5970   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    0.4360    1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800    0.0490    2.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -1.9510    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730   -1.6200    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400   -4.0430    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -4.4610    2.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -4.1800    1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5280   -1.4690    3.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -3.0830    4.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320   -1.9210    2.4880 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5080   -2.2530    1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.8860    2.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940   -1.5200    6.0530 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  1  11  -1
M  CHG  1  28   1
M  CHG  1  31  -1
M  END